[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-chloranylbenzenesulfonate Openeye Name: (3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C24H19ClO5S MolecularWeight: 454.92266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H19ClO5S/c1-15-20-12-13-22(30-31(27,28)19-10-8-18(25)9-11-19)16(2)23(20)29-24(26)21(15)14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3